(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

C17H24F2N2O2 — CID 166945738

IUPAC(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@@]2(C=C(N)C1=O)CCN(C(=O)C1CCC(F)(F)C1)C2
InChIInChI=1S/C17H24F2N2O2/c1-15(2)9-16(8-12(20)13(15)22)5-6-21(10-16)14(23)11-3-4-17(18,19)7-11/h8,11H,3-7,9-10,20H2,1-2H3/t11?,16-/m0/s1
InChIKeyYFYFWTGKDAMFSO-NBFOKTCDSA-N
MW326.39 g/mol
LogP2.48
Rot. Bonds1

About (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one

(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (PubChem CID 166945738) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
PubChem CID166945738
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)C[C@@]2(C=C(N)C1=O)CCN(C(=O)C1CCC(F)(F)C1)C2
InChIInChI=1S/C17H24F2N2O2/c1-15(2)9-16(8-12(20)13(15)22)5-6-21(10-16)14(23)11-3-4-17(18,19)7-11/h8,11H,3-7,9-10,20H2,1-2H3/t11?,16-/m0/s1
InChIKeyYFYFWTGKDAMFSO-NBFOKTCDSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one (CID 166945738) is (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is CC1(C)C[C@@]2(C=C(N)C1=O)CCN(C(=O)C1CCC(F)(F)C1)C2.
What is the InChIKey of (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
The InChIKey is YFYFWTGKDAMFSO-NBFOKTCDSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-15(2)9-16(8-12(20)13(15)22)5-6-21(10-16)14(23)11-3-4-17(18,19)7-11/h8,11H,3-7,9-10,20H2,1-2H3/t11?,16-/m0/s1.
What are the key properties of (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one?
(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one has a molecular weight of 326.39 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 166945738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).